pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.80000019073486	QSARToolbox	2	1	C1COCC[NH2+]CCSCC[NH2+]1	C1COCC[NH2+]CCSCCN1	mol34644	C1COCCNCCSCCN1